Room Temperature Self- and H 2 -Broadened Line Parameters of Carbon Monoxide in the First Overtone Band: Theoretical and Revised Experimental Results
Résumé
Lorentz self- and H2-broadened half-width and pressure-induced shift coefficients, line mixing coefficients as well as line center positions and intensities were obtained using a nonlinear least square fitting technique for 48 (P(24) to R(23)) ro-vibrational transitions belonging to the first overtone (2←0) band of 12C16O at room temperature. All spectra in the 4146 to 4332 cm−1 spectral interval were fitted simultaneously employing four line shape functions: the Voigt, Speed Dependent Voigt, Rautian and Speed Dependent Rautian profiles. The collisional line mixing effect has been observed and investigated as an asymmetry in the analyzed line profiles. A semi-empirical Exponential Power Gap Law method was used to estimate the self- and H2-broadening coefficients and the collisional line mixing parameters. Additionally, a classical approach was applied to calculate the half-width coefficients of transitions in the 2←0 band for carbon monoxide broadened by H2 and for pure CO. The classical approach based on a simple computational method, ensures the molecular motion is correctly characterized in 3 dimensions. The calculations used vibrationally independent intermolecular interaction potentials. The variation of CO half-width coefficients with rotational quantum number J ≤ 24 was computed and compared with measurements. The agreement between the theoretical broadening coefficients is better for pure CO rather than for the CO-H2 system.
Domaines
Physique [physics]
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Esteki et al. - Room Temperature Self- and H2-Broadened Line Param.pdf (1.99 Mo)
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